2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione

C36H41N11O6 — CID 156906005

IUPAC2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione
SMILESCOC1CCN(c2nccc(Nc3cc4nc(COCCN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)[nH]c4cn3)n2)CC1
InChIInChI=1S/C36H41N11O6/c1-52-23-7-10-46(11-8-23)36-37-9-6-29(42-36)41-30-19-26-27(20-38-30)40-31(39-26)21-53-17-16-44-12-14-45(15-13-44)22-2-3-24-25(18-22)35(51)47(34(24)50)28-4-5-32(48)43-33(28)49/h2-3,6,9,18-20,23,28H,4-5,7-8,10-17,21H2,1H3,(H,39,40)(H,43,48,49)(H,37,38,41,42)
InChIKeyUMACMLLHGAOSSY-UHFFFAOYSA-N
MW723.80 g/mol
LogP1.85
Rot. Bonds11

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione (PubChem CID 156906005) has the molecular formula C36H41N11O6 and a molecular weight of 723.80 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione
PubChem CID156906005
Molecular FormulaC36H41N11O6
Molecular Weight723.80 g/mol
Exact Mass723.32
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione
SMILESCOC1CCN(c2nccc(Nc3cc4nc(COCCN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)[nH]c4cn3)n2)CC1
InChIInChI=1S/C36H41N11O6/c1-52-23-7-10-46(11-8-23)36-37-9-6-29(42-36)41-30-19-26-27(20-38-30)40-31(39-26)21-53-17-16-44-12-14-45(15-13-44)22-2-3-24-25(18-22)35(51)47(34(24)50)28-4-5-32(48)43-33(28)49/h2-3,6,9,18-20,23,28H,4-5,7-8,10-17,21H2,1H3,(H,39,40)(H,43,48,49)(H,37,38,41,42)
InChIKeyUMACMLLHGAOSSY-UHFFFAOYSA-N
XLogP1.85
TPSA191.11 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.80
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione (CID 156906005) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione is COC1CCN(c2nccc(Nc3cc4nc(COCCN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)[nH]c4cn3)n2)CC1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione?
The InChIKey is UMACMLLHGAOSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N11O6/c1-52-23-7-10-46(11-8-23)36-37-9-6-29(42-36)41-30-19-26-27(20-38-30)40-31(39-26)21-53-17-16-44-12-14-45(15-13-44)22-2-3-24-25(18-22)35(51)47(34(24)50)28-4-5-32(48)43-33(28)49/h2-3,6,9,18-20,23,28H,4-5,7-8,10-17,21H2,1H3,(H,39,40)(H,43,48,49)(H,37,38,41,42).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione has a molecular weight of 723.80 g/mol, XLogP of 1.85, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[[6-[[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]amino]-3H-imidazo[4,5-c]pyridin-2-yl]methoxy]ethyl]piperazin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 156906005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).